(3S,8As)-3-(4-Aminobutyl)Hexahydropyrrolo[1,2-A]Pyrazine-1,4-Dione

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Formula C11H19N3O2
IUPAC Name (3s,8as)-3-(4-aminobutyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Mass 225.287 g·mol−1
Heat of Formation -396.8 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 280.63 Å 3
Surface Area 264.68 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8as)-3-(4-aminobutyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione
  • (3s,8as)-3-(4-aminobutyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone
  • cyclo(lysyl-prolyl)
CAS Number(s)
  • 111688-85-8
InChIKey CRRRSAJEKLLRFY-IUCAKERBSA-N
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